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131401-50-8 | Pentanoic acid, 2-(hydroxyimino)-4-methyl-, phenylmethyl ester
CAS No: 131401-50-8 Catalog No: AG000W4I MDL No:
Product Description
Catalog Number:
AG000W4I
Chemical Name:
Pentanoic acid, 2-(hydroxyimino)-4-methyl-, phenylmethyl ester
CAS Number:
131401-50-8
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
benzyl 2-hydroxyimino-4-methylpentanoate
InChI:
InChI=1S/C13H17NO3/c1-10(2)8-12(14-16)13(15)17-9-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChI Key:
HSHAZPMKWMGZJJ-UHFFFAOYSA-N
SMILES:
CC(CC(=NO)C(=O)OCc1ccccc1)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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